# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35255776
_cell_length_b   8.40302456
_cell_length_c   49.84765297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg84
_cell_volume   4336.38675916
_cell_formula_units_Z   84
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg1  1  1.000790  0.316457  0.308911  1
  Mg  Mg2  1  0.001022  0.959208  0.329510  1
  Mg  Mg3  1  0.002821  0.675206  0.288896  1
  Mg  Mg4  1  0.251020  0.174461  0.336257  1
  Mg  Mg5  1  0.251020  0.886414  0.295663  1
  Mg  Mg6  1  0.251020  0.531455  0.315777  1
  Mg  Mg7  1  0.501249  0.316457  0.308911  1
  Mg  Mg8  1  0.501017  0.959208  0.329510  1
  Mg  Mg9  1  0.499218  0.675206  0.288896  1
  Mg  Mg10  1  0.751020  0.097586  0.302380  1
  Mg  Mg11  1  0.751020  0.742739  0.322595  1
  Mg  Mg12  1  0.751020  0.386629  0.342740  1
  Mg  Mg13  1  1.000808  0.245381  0.370702  1
  Mg  Mg14  1  1.001002  0.888045  0.391606  1
  Mg  Mg15  1  0.001598  0.602113  0.350183  1
  Mg  Mg16  1  0.251020  0.102680  0.398491  1
  Mg  Mg17  1  0.251020  0.816648  0.356993  1
  Mg  Mg18  1  0.251020  0.459606  0.377752  1
  Mg  Mg19  1  0.501231  0.245381  0.370702  1
  Mg  Mg20  1  0.501037  0.888045  0.391606  1
  Mg  Mg21  1  0.500441  0.602113  0.350183  1
  Mg  Mg22  1  0.751020  0.029782  0.363819  1
  Mg  Mg23  1  0.751020  0.672794  0.384540  1
  Mg  Mg24  1  0.751020  0.316110  0.405308  1
  Mg  Mg25  1  1.000997  0.173587  0.433376  1
  Mg  Mg26  1  1.001018  0.816383  0.454348  1
  Mg  Mg27  1  1.000995  0.530731  0.412581  1
  Mg  Mg28  1  0.251020  0.031080  0.461284  1
  Mg  Mg29  1  0.251020  0.745373  0.419539  1
  Mg  Mg30  1  0.251020  0.388109  0.440425  1
  Mg  Mg31  1  0.501042  0.173587  0.433376  1
  Mg  Mg32  1  0.501021  0.816383  0.454348  1
  Mg  Mg33  1  0.501044  0.530731  0.412581  1
  Mg  Mg34  1  0.751020  0.958669  0.426394  1
  Mg  Mg35  1  0.751020  0.601580  0.447307  1
  Mg  Mg36  1  0.751020  0.244524  0.468140  1
  Mg  Mg37  1  1.001018  0.102081  0.496147  1
  Mg  Mg38  1  1.001018  0.744890  0.517096  1
  Mg  Mg39  1  1.001016  0.459139  0.475293  1
  Mg  Mg40  1  0.251020  0.959576  0.524032  1
  Mg  Mg41  1  0.251020  0.673800  0.482265  1
  Mg  Mg42  1  0.251020  0.316667  0.503178  1
  Mg  Mg43  1  0.501021  0.102081  0.496147  1
  Mg  Mg44  1  0.501021  0.744890  0.517096  1
  Mg  Mg45  1  0.501023  0.459139  0.475293  1
  Mg  Mg46  1  0.751020  0.887314  0.489142  1
  Mg  Mg47  1  0.751020  0.530145  0.510065  1
  Mg  Mg48  1  0.751020  0.173090  0.530899  1
  Mg  Mg49  1  0.001038  0.030640  0.558910  1
  Mg  Mg50  1  0.001039  0.673377  0.579851  1
  Mg  Mg51  1  1.001011  0.387681  0.538059  1
  Mg  Mg52  1  0.251020  0.888044  0.586739  1
  Mg  Mg53  1  0.251020  0.602330  0.545007  1
  Mg  Mg54  1  0.251020  0.245211  0.565924  1
  Mg  Mg55  1  0.501001  0.030640  0.558910  1
  Mg  Mg56  1  0.501000  0.673377  0.579851  1
  Mg  Mg57  1  0.501028  0.387681  0.538059  1
  Mg  Mg58  1  0.751020  0.815819  0.551886  1
  Mg  Mg59  1  0.751020  0.458559  0.572825  1
  Mg  Mg60  1  0.751020  0.101549  0.593578  1
  Mg  Mg61  1  0.001185  0.959145  0.621630  1
  Mg  Mg62  1  0.001085  0.602217  0.642456  1
  Mg  Mg63  1  1.001006  0.316094  0.600890  1
  Mg  Mg64  1  0.251020  0.816545  0.649181  1
  Mg  Mg65  1  0.251020  0.530593  0.607754  1
  Mg  Mg66  1  0.251020  0.173681  0.628584  1
  Mg  Mg67  1  0.500854  0.959145  0.621630  1
  Mg  Mg68  1  0.500954  0.602217  0.642456  1
  Mg  Mg69  1  0.501034  0.316094  0.600890  1
  Mg  Mg70  1  0.751020  0.744048  0.614598  1
  Mg  Mg71  1  0.751020  0.387064  0.635485  1
  Mg  Mg72  1  0.751020  0.029648  0.655790  1
  Mg  Mg73  1  0.001221  0.888209  0.683606  1
  Mg  Mg74  1  1.000250  0.533548  0.703977  1
  Mg  Mg75  1  1.000426  0.245128  0.663307  1
  Mg  Mg76  1  0.251020  0.744239  0.710352  1
  Mg  Mg77  1  0.251020  0.460091  0.669958  1
  Mg  Mg78  1  0.251020  0.101718  0.690077  1
  Mg  Mg79  1  0.500818  0.888209  0.683606  1
  Mg  Mg80  1  0.501789  0.533548  0.703977  1
  Mg  Mg81  1  0.501613  0.245128  0.663307  1
  Mg  Mg82  1  0.751020  0.672661  0.676696  1
  Mg  Mg83  1  0.751020  0.315598  0.697201  1
  Mg  Mg84  1  0.751020  0.958488  0.716994  1
